#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgk h THR 2 N 0.00 0.09 -0.89 2.03 1.35 -2.04 -2.30 112.91 111.15 2hgk h THR 2 Ca 0.00 -0.27 0.09 0.00 -0.55 0.00 0.00 66.41 65.68 2hgk h THR 2 Cb 0.00 1.24 -0.07 0.00 -1.73 0.00 0.00 68.15 67.59 2hgk h THR 2 CO 0.00 0.02 0.54 0.74 -0.25 0.00 0.00 175.52 176.57 2hgk h THR 3 N 0.00 0.97 -0.59 6.82 2.02 -1.99 -0.97 112.91 119.17 2hgk h THR 3 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2hgk h THR 3 Cb 0.24 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 2hgk h THR 3 CO 0.00 0.17 0.38 0.45 0.37 0.00 0.00 175.52 176.89 2hgk h HIS 4 N 0.93 0.75 -0.33 3.16 -0.00 -1.82 -0.38 115.15 117.46 2hgk h HIS 4 Ca 0.41 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.66 2hgk h HIS 4 Cb 0.30 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2hgk h HIS 4 CO -0.03 0.48 -0.34 0.22 -0.00 0.00 0.00 177.93 178.26 2hgk h ASP 5 N 0.81 0.87 -0.12 2.45 3.58 -1.35 -2.58 116.42 120.07 2hgk h ASP 5 Ca 0.22 -0.47 -0.08 0.00 0.42 0.00 0.00 57.03 57.12 2hgk h ASP 5 Cb -0.07 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 2hgk h ASP 5 CO -0.04 1.16 -0.14 0.03 -2.88 0.00 0.00 179.24 177.37 2hgk h ARG 6 N 0.59 0.49 -0.74 0.28 3.08 -0.53 -1.87 114.38 115.68 2hgk h ARG 6 Ca 0.05 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2hgk h ARG 6 Cb 0.92 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 2hgk h ARG 6 CO 0.08 0.63 0.36 0.28 -1.07 0.00 0.00 179.97 180.26 2hgk h VAL 7 N 0.45 1.24 -0.62 2.04 2.07 -0.98 -0.18 116.25 120.27 2hgk h VAL 7 Ca 0.08 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2hgk h VAL 7 Cb 0.52 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2hgk h VAL 7 CO 0.03 0.28 0.41 -0.09 0.02 0.00 0.00 177.57 178.22 2hgk h ARG 8 N 1.04 0.81 -0.66 1.57 2.43 -0.98 -0.23 114.38 118.36 2hgk h ARG 8 Ca 0.26 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2hgk h ARG 8 Cb 0.11 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2hgk h ARG 8 CO -0.03 0.54 0.26 -0.07 -1.51 0.00 0.00 179.97 179.16 2hgk h LEU 9 N 0.83 0.89 -0.36 3.80 3.38 -0.94 -1.67 115.31 121.24 2hgk h LEU 9 Ca 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 9 Cb -0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2hgk h LEU 9 CO -0.05 0.79 0.14 -0.61 0.09 0.00 0.00 178.44 178.80 2hgk h GLN 10 N 0.95 0.54 -0.76 1.13 -0.00 -0.31 -0.72 115.11 115.94 2hgk h GLN 10 Ca 0.22 -0.10 0.06 0.00 -0.00 0.00 0.00 58.65 58.83 2hgk h GLN 10 Cb 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 27.48 27.52 2hgk h GLN 10 CO -0.02 0.54 0.45 -0.07 0.00 0.00 0.00 178.83 179.73 2hgk h LEU 11 N 0.43 0.70 -1.08 -2.39 3.38 -0.67 0.11 115.31 115.79 2hgk h LEU 11 Ca 0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 11 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2hgk h LEU 11 CO -0.01 0.45 -0.03 1.56 0.09 0.00 0.00 178.44 180.50 2hgk h GLN 12 N 0.83 0.62 -0.38 1.13 4.20 -0.95 -0.51 115.11 120.05 2hgk h GLN 12 Ca 0.34 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 2hgk h GLN 12 Cb 0.17 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2hgk h GLN 12 CO -0.17 0.66 -0.27 0.00 -0.67 0.00 0.00 178.83 178.37 2hgk h ALA 13 N 1.39 0.55 -0.65 3.87 0.00 0.07 -0.30 119.26 124.19 2hgk h ALA 13 Ca 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2hgk h ALA 13 Cb 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2hgk h ALA 13 CO 0.02 0.57 0.35 1.25 0.00 0.00 0.00 179.25 181.44 2hgk h LEU 14 N 0.67 0.82 -0.28 0.00 5.85 -0.47 -0.16 115.31 121.73 2hgk h LEU 14 Ca 0.07 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2hgk h LEU 14 Cb 0.85 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2hgk h LEU 14 CO 0.07 0.68 0.17 -0.08 -0.34 0.00 0.00 178.44 178.94 2hgk h GLU 15 N 0.89 0.33 -0.08 1.25 4.81 -0.97 -2.35 114.58 118.47 2hgk h GLU 15 Ca 0.23 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2hgk h GLU 15 Cb 0.05 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2hgk h GLU 15 CO -0.04 0.22 0.02 0.00 -0.73 0.00 0.00 179.01 178.48 2hgk h ALA 16 N 1.12 1.89 0.02 2.92 0.00 -0.53 0.22 119.26 124.90 2hgk h ALA 16 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hgk h ALA 16 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hgk h ALA 16 CO -0.05 0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.54 2hgk h LEU 17 N 0.10 -0.02 -0.04 0.00 5.85 -0.52 -1.49 115.31 119.19 2hgk h LEU 17 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2hgk h LEU 17 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2hgk h LEU 17 CO -0.00 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.46 2hgk n LEU 18 N -5.01 0.35 -0.00 2.25 4.77 -0.82 -0.49 117.00 118.04 2hgk n LEU 18 Ca -0.08 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 2hgk n LEU 18 Cb 0.12 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2hgk n LEU 18 CO 0.33 -0.12 0.41 -0.09 -1.33 0.00 0.00 177.39 176.59 2hgk h ARG 19 N 0.00 -0.09 -0.02 3.23 2.43 -0.33 -0.50 114.38 119.11 2hgk h ARG 19 Ca 0.00 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 2hgk h ARG 19 Cb 0.56 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2hgk h ARG 19 CO 0.00 0.49 -0.84 0.93 -1.51 0.00 0.00 179.97 179.04 2hgk h GLU 20 N -0.84 0.29 -2.18 0.20 5.08 -1.23 -2.71 114.58 113.19 2hgk h GLU 20 Ca -0.01 -0.29 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 2hgk h GLU 20 Cb 0.62 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.78 2hgk h GLU 20 CO 0.02 0.97 0.96 0.72 -1.00 0.00 0.00 179.01 180.68 2hgk n HIS 21 N -3.73 1.88 -0.17 4.33 8.25 0.35 -4.94 115.22 121.18 2hgk n HIS 21 Ca -0.04 -2.19 -0.02 0.00 -0.26 0.00 0.00 57.72 55.21 2hgk n HIS 21 Cb 0.78 -1.51 -0.02 0.00 1.12 0.00 0.00 29.99 30.36 2hgk n HIS 21 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hgk n GLN 22 N 1.12 0.00 0.00 -0.41 6.02 -1.02 -4.56 117.38 118.52 2hgk n GLN 22 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2hgk n GLN 22 Cb 0.47 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.59 2hgk n GLN 22 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgk n HIS 23 N 0.67 0.00 -2.62 1.08 8.25 -0.23 -5.03 115.22 117.34 2hgk n HIS 23 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 2hgk n HIS 23 Cb 0.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 2hgk n HIS 23 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2hgk s TRP 24 N 0.00 3.60 -0.01 4.41 -0.11 -0.97 -4.97 118.94 120.89 2hgk s TRP 24 Ca 0.00 1.59 -0.30 0.00 1.22 0.00 0.00 56.10 58.61 2hgk s TRP 24 Cb 0.00 -3.21 -0.08 0.00 -1.50 0.00 0.00 33.47 28.68 2hgk s TRP 24 CO 0.00 -0.39 1.91 1.03 -4.62 0.00 0.00 176.95 174.88 2hgk s ARG 25 N 0.88 4.06 -0.28 5.86 0.52 -1.26 -4.85 118.95 123.88 2hgk s ARG 25 Ca 0.53 2.45 0.03 0.00 -0.52 0.00 0.00 55.73 58.22 2hgk s ARG 25 Cb -0.24 -4.14 0.44 0.00 0.52 0.00 0.00 34.95 31.53 2hgk s ARG 25 CO 0.29 -1.04 1.58 0.09 0.02 0.00 0.00 175.30 176.24 2hgk n ASN 26 N 7.83 3.52 0.00 0.23 5.03 -1.26 -4.89 115.26 125.72 2hgk n ASN 26 Ca 0.20 -3.02 0.00 0.00 0.87 0.00 0.00 54.58 52.64 2hgk n ASN 26 Cb 0.42 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 2hgk n ASN 26 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2hgk n ASP 27 N -0.51 0.54 -3.73 6.41 2.03 -1.26 -5.16 116.55 114.87 2hgk n ASP 27 Ca 0.38 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.57 2hgk n ASP 27 Cb 1.24 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.52 2hgk n ASP 27 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2hgk s GLU 28 N 2.51 0.33 -0.09 -0.67 2.12 -1.26 -5.12 118.70 116.52 2hgk s GLU 28 Ca 0.00 0.57 -0.38 0.00 0.36 0.00 0.00 54.97 55.52 2hgk s GLU 28 Cb 0.00 0.03 -0.16 0.00 0.26 0.00 0.00 34.13 34.26 2hgk s GLU 28 CO 0.00 -0.11 1.56 -2.30 -0.54 0.00 0.00 175.26 173.87 2hgk n PRO 29 N 3.69 1.23 -4.48 4.30 -0.02 -1.26 -5.00 135.00 133.46 2hgk n PRO 29 Ca -0.20 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 2hgk n PRO 29 Cb 0.56 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 2hgk n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2hgk s GLN 30 N 2.11 2.31 0.43 -0.52 -1.52 -1.26 -5.04 119.66 116.18 2hgk s GLN 30 Ca 0.91 -0.87 0.19 0.00 -1.95 0.00 0.00 55.36 53.64 2hgk s GLN 30 Cb -0.99 -2.36 1.13 0.00 -0.22 0.00 0.00 33.01 30.57 2hgk s GLN 30 CO 0.56 0.56 1.86 -1.00 -0.25 0.00 0.00 175.29 177.02 2hgk h PRO 31 N 4.33 0.34 0.00 2.91 0.13 -1.98 0.41 132.00 138.14 2hgk h PRO 31 Ca -0.48 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2hgk h PRO 31 Cb 1.16 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2hgk h PRO 31 CO 0.51 0.23 -0.13 1.25 -0.23 0.00 0.00 178.00 179.63 2hgk h HIS 32 N 0.35 0.00 0.00 1.56 2.76 -1.98 -0.74 115.15 117.10 2hgk h HIS 32 Ca 0.46 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.60 2hgk h HIS 32 Cb 1.21 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 2hgk h HIS 32 CO -0.00 0.13 -0.12 1.96 -1.30 0.00 0.00 177.93 178.60 2hgk h GLN 33 N 0.00 0.00 -0.62 5.26 4.20 -1.26 -2.55 115.11 120.14 2hgk h GLN 33 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2hgk h GLN 33 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2hgk h GLN 33 CO 0.02 0.12 0.00 1.19 -0.67 0.00 0.00 178.83 179.49 2hgk n PHE 34 N -3.23 1.60 -1.61 2.96 3.72 -0.30 -4.70 117.46 115.90 2hgk n PHE 34 Ca 0.01 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.46 2hgk n PHE 34 Cb 0.41 -0.31 0.07 0.00 -0.94 0.00 0.00 39.48 38.71 2hgk n PHE 34 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2hgk s ASN 35 N -0.92 4.93 0.00 4.37 2.47 -0.96 -3.47 114.94 121.36 2hgk s ASN 35 Ca 0.52 1.37 0.00 0.00 0.42 0.00 0.00 52.86 55.17 2hgk s ASN 35 Cb 0.35 -2.17 0.00 0.00 -1.45 0.00 0.00 41.25 37.98 2hgk s ASN 35 CO 0.22 -1.70 0.00 -1.20 -3.72 0.00 0.00 177.10 170.70 2hgk n SER 36 N -3.27 0.00 -3.62 -4.21 7.64 -1.26 -4.24 113.62 104.65 2hgk n SER 36 Ca 0.07 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.72 2hgk n SER 36 Cb 0.56 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2hgk n SER 36 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2hgk n THR 37 N -2.00 -2.54 -4.48 0.44 5.66 -1.23 -4.97 114.28 105.17 2hgk n THR 37 Ca 0.00 -0.07 -0.32 0.00 -3.05 0.00 0.00 64.05 60.61 2hgk n THR 37 Cb 0.00 -2.25 -0.10 0.00 -1.55 0.00 0.00 70.33 66.42 2hgk n THR 37 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hgk s GLN 38 N -4.77 2.58 0.52 1.09 -0.21 -1.26 -5.02 119.66 112.59 2hgk s GLN 38 Ca 0.05 -0.69 0.19 0.00 0.02 0.00 0.00 55.36 54.93 2hgk s GLN 38 Cb -0.03 -2.52 1.32 0.00 1.00 0.00 0.00 33.01 32.78 2hgk s GLN 38 CO 0.74 0.61 2.13 -1.00 -2.12 0.00 0.00 175.29 175.65 2hgk h PRO 39 N 4.63 0.00 -0.00 2.91 0.13 -1.99 -2.60 132.00 135.08 2hgk h PRO 39 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2hgk h PRO 39 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2hgk h PRO 39 CO 0.53 0.05 -0.02 1.19 -0.23 0.00 0.00 178.00 179.53 2hgk n PHE 40 N -4.29 0.00 -3.28 1.56 3.72 -1.26 -5.06 117.46 108.86 2hgk n PHE 40 Ca -0.03 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.10 2hgk n PHE 40 Cb 0.14 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.70 2hgk n PHE 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2hgk n PHE 41 N -0.07 -2.96 0.02 1.38 3.72 -0.98 -4.67 117.46 113.90 2hgk n PHE 41 Ca 0.01 1.22 0.04 0.00 -0.05 0.00 0.00 57.45 58.67 2hgk n PHE 41 Cb 0.05 -2.70 -0.09 0.00 -0.94 0.00 0.00 39.48 35.80 2hgk n PHE 41 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2hgk n MET 42 N -0.36 0.64 -0.09 -1.08 2.81 -1.26 -3.46 117.12 114.31 2hgk n MET 42 Ca -0.02 0.07 -0.23 0.00 -1.81 0.00 0.00 57.70 55.71 2hgk n MET 42 Cb 0.60 -1.71 -0.12 0.00 -0.71 0.00 0.00 33.22 31.29 2hgk n MET 42 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2hgk n ASP 43 N -2.68 1.96 0.02 7.83 8.00 -1.26 -4.49 116.55 125.93 2hgk n ASP 43 Ca -0.09 0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.61 2hgk n ASP 43 Cb 0.75 -0.85 0.07 0.00 -0.02 0.00 0.00 41.12 41.07 2hgk n ASP 43 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2hgk h THR 44 N -0.63 1.33 -3.51 -3.53 1.35 -1.84 -3.46 112.91 102.62 2hgk h THR 44 Ca -0.47 -1.81 -0.48 0.00 -0.55 0.00 0.00 66.41 63.10 2hgk h THR 44 Cb 1.62 1.80 -0.14 0.00 -1.73 0.00 0.00 68.15 69.70 2hgk h THR 44 CO -0.17 0.56 -0.54 -0.04 -0.25 0.00 0.00 175.52 175.08 2hgk s MET 45 N -3.97 1.73 0.25 4.72 -1.94 -1.22 -4.91 119.30 113.95 2hgk s MET 45 Ca -0.07 -2.02 -0.14 0.00 -1.71 0.00 0.00 55.69 51.75 2hgk s MET 45 Cb 0.11 -0.29 -0.08 0.00 2.01 0.00 0.00 34.83 36.59 2hgk s MET 45 CO 0.83 -0.46 0.65 -1.21 -0.01 0.00 0.00 175.02 174.82 2hgk s GLU 46 N -3.74 4.00 0.55 2.03 2.02 -1.26 -4.32 118.70 117.97 2hgk s GLU 46 Ca 0.32 0.58 0.30 0.00 0.02 0.00 0.00 54.97 56.19 2hgk s GLU 46 Cb 0.04 -2.67 1.46 0.00 0.10 0.00 0.00 34.13 33.07 2hgk s GLU 46 CO 0.17 0.30 1.91 -1.35 0.02 0.00 0.00 175.26 176.31 2hgk h PRO 47 N 2.80 0.00 0.00 0.39 0.11 -1.86 0.25 132.00 133.69 2hgk h PRO 47 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2hgk h PRO 47 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2hgk h PRO 47 CO 0.66 0.00 -0.49 1.25 -0.21 0.00 0.00 178.00 179.21 2hgk h LEU 48 N 0.00 0.00 -0.09 2.35 5.85 -1.93 -3.01 115.31 118.48 2hgk h LEU 48 Ca 0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2hgk h LEU 48 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2hgk h LEU 48 CO -0.00 0.49 0.00 -0.62 -0.34 0.00 0.00 178.44 177.97 2hgk n GLU 49 N -3.69 0.23 0.04 1.25 1.02 0.87 -3.30 120.64 117.07 2hgk n GLU 49 Ca -0.01 0.23 0.03 0.00 -0.02 0.00 0.00 57.16 57.39 2hgk n GLU 49 Cb 0.56 -1.79 0.41 0.00 -0.02 0.00 0.00 31.44 30.60 2hgk n GLU 49 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2hgk h TRP 50 N 0.00 0.44 0.00 -0.32 7.01 -1.51 -0.01 115.95 121.56 2hgk h TRP 50 Ca 0.00 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2hgk h TRP 50 Cb 0.67 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 2hgk h TRP 50 CO 0.00 0.35 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.74 2hgk h LEU 51 N 0.45 0.00 -8.68 0.65 3.38 -1.75 -0.13 115.31 109.23 2hgk h LEU 51 Ca 0.11 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.42 2hgk h LEU 51 Cb 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.67 2hgk h LEU 51 CO -0.01 0.19 -0.16 -1.10 0.09 0.00 0.00 178.44 177.45 2hgk s GLN 52 N -4.59 3.42 0.00 1.13 -0.21 -0.02 -3.13 119.66 116.26 2hgk s GLN 52 Ca -0.04 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.90 2hgk s GLN 52 Cb 0.16 -3.86 0.00 0.00 1.00 0.00 0.00 33.01 30.30 2hgk s GLN 52 CO 0.69 -0.69 0.00 0.91 -2.12 0.00 0.00 175.29 174.08 2hgk n TRP 53 N 5.62 0.00 0.00 0.91 7.02 -1.26 -4.74 117.44 124.98 2hgk n TRP 53 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 2hgk n TRP 53 Cb 0.48 -0.69 0.00 0.00 -2.42 0.00 0.00 31.31 28.68 2hgk n TRP 53 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2hgk n VAL 54 N -2.12 0.00 0.16 -0.99 0.31 -1.24 -4.71 118.33 109.73 2hgk n VAL 54 Ca 0.00 0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 2hgk n VAL 54 Cb 0.05 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.05 2hgk n VAL 54 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2hgk h LEU 55 N 0.00 -0.95 0.44 7.52 5.85 -1.13 0.42 115.31 127.46 2hgk h LEU 55 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2hgk h LEU 55 Cb 0.00 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2hgk h LEU 55 CO 0.00 -0.44 -0.28 0.40 -0.34 0.00 0.00 178.44 177.78 2hgk h ILE 56 N -0.62 0.42 -0.87 4.05 2.04 -1.80 0.22 117.51 120.95 2hgk h ILE 56 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2hgk h ILE 56 Cb 0.61 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2hgk h ILE 56 CO -0.14 0.00 0.52 -0.65 0.00 0.00 0.00 178.15 177.87 2hgk h PRO 57 N -0.69 1.18 -0.37 2.37 0.11 -1.82 -0.83 132.00 131.95 2hgk h PRO 57 Ca -0.05 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.87 2hgk h PRO 57 Cb 0.57 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 2hgk h PRO 57 CO 0.04 0.83 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.45 2hgk h ARG 58 N 1.20 0.64 -0.14 1.05 2.43 0.13 -1.25 114.38 118.43 2hgk h ARG 58 Ca 0.31 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 2hgk h ARG 58 Cb -0.04 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2hgk h ARG 58 CO -0.06 0.74 -0.47 0.52 -1.51 0.00 0.00 179.97 179.19 2hgk h MET 59 N 0.58 0.35 -0.72 0.20 2.86 -0.17 0.46 114.93 118.49 2hgk h MET 59 Ca 0.10 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2hgk h MET 59 Cb 0.55 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2hgk h MET 59 CO 0.03 0.75 0.46 0.45 1.06 0.00 0.00 176.91 179.67 2hgk h HIS 60 N 0.28 0.87 -0.57 -0.22 3.86 -0.37 0.56 115.15 119.56 2hgk h HIS 60 Ca 0.02 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 2hgk h HIS 60 Cb 0.94 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 2hgk h HIS 60 CO 0.02 0.52 0.05 0.22 0.86 0.00 0.00 177.93 179.60 2hgk h ASP 61 N 0.92 0.95 -0.64 2.45 3.58 -0.90 0.51 116.42 123.29 2hgk h ASP 61 Ca 0.28 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2hgk h ASP 61 Cb -0.03 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 2hgk h ASP 61 CO -0.09 0.99 0.10 0.25 -2.88 0.00 0.00 179.24 177.62 2hgk h LEU 62 N 0.87 1.03 -0.63 2.28 5.85 -0.30 -0.23 115.31 124.18 2hgk h LEU 62 Ca 0.17 -0.24 -0.15 0.00 0.84 0.00 0.00 57.88 58.50 2hgk h LEU 62 Cb 0.48 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2hgk h LEU 62 CO 0.02 1.02 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.42 2hgk h LEU 63 N 1.01 0.17 -0.13 2.25 3.38 0.31 0.48 115.31 122.78 2hgk h LEU 63 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2hgk h LEU 63 Cb 0.43 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2hgk h LEU 63 CO 0.01 0.77 0.03 -0.78 0.09 0.00 0.00 178.44 178.56 2hgk h ASP 64 N 0.10 0.21 0.57 -0.43 3.58 -0.63 -1.70 116.42 118.12 2hgk h ASP 64 Ca -0.01 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2hgk h ASP 64 Cb 1.17 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2hgk h ASP 64 CO 0.09 0.41 0.00 0.78 -2.88 0.00 0.00 179.24 177.64 2hgk h ASN 65 N 0.01 0.00 0.00 2.28 -0.26 -0.87 -3.46 115.58 113.27 2hgk h ASN 65 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2hgk h ASN 65 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2hgk h ASN 65 CO 0.00 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.66 2hgk n LYS 66 N -3.00 0.00 -1.16 0.81 5.02 0.17 -4.95 118.16 115.04 2hgk n LYS 66 Ca -0.01 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 2hgk n LYS 66 Cb 0.20 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.14 2hgk n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2hgk n GLN 67 N 0.00 -2.62 0.00 1.97 1.13 -1.26 -4.31 117.38 112.29 2hgk n GLN 67 Ca 0.00 2.07 0.11 0.00 -1.94 0.00 0.00 57.00 57.24 2hgk n GLN 67 Cb 0.00 -3.09 0.57 0.00 0.11 0.00 0.00 30.24 27.84 2hgk n GLN 67 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2hgk n PRO 68 N -3.92 0.39 -0.69 -1.09 -0.02 -1.26 -5.01 135.00 123.41 2hgk n PRO 68 Ca -0.06 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2hgk n PRO 68 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2hgk n PRO 68 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hgk n LEU 69 N -1.23 -0.86 -4.57 2.45 4.77 -1.26 -4.73 117.00 111.57 2hgk n LEU 69 Ca 0.12 1.26 -0.40 0.00 -0.03 0.00 0.00 56.01 56.95 2hgk n LEU 69 Cb 0.15 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 2hgk n LEU 69 CO 0.16 -0.27 1.52 -2.16 -1.33 0.00 0.00 177.39 175.31 2hgk s PRO 70 N -4.67 2.97 0.00 3.23 0.04 -1.26 -4.85 135.00 130.45 2hgk s PRO 70 Ca 0.00 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2hgk s PRO 70 Cb 0.00 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2hgk s PRO 70 CO 0.00 -2.31 0.89 0.41 0.04 0.00 0.00 177.00 176.03 2hgk n GLY 71 N 5.53 -0.71 0.99 0.56 0.00 -1.26 -2.61 105.19 107.68 2hgk n GLY 71 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 2hgk n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgk n ALA 72 N -0.45 2.46 -2.75 4.61 0.00 -1.26 -4.74 120.51 118.38 2hgk n ALA 72 Ca 0.00 -2.16 -0.43 0.00 0.00 0.00 0.00 53.44 50.85 2hgk n ALA 72 Cb 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 2hgk n ALA 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2hgk s PHE 73 N -0.72 2.77 -0.23 0.00 5.36 -1.07 -4.97 117.98 119.12 2hgk s PHE 73 Ca 0.26 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 55.90 2hgk s PHE 73 Cb 0.28 -4.10 0.08 0.00 -0.34 0.00 0.00 43.02 38.93 2hgk s PHE 73 CO -0.09 -1.44 0.09 0.00 -1.46 0.00 0.00 175.22 172.31 2hgk s ALA 74 N 3.86 0.77 -1.86 11.12 0.00 -1.26 -4.52 121.76 129.88 2hgk s ALA 74 Ca 0.25 -0.78 0.19 0.00 0.00 0.00 0.00 51.96 51.62 2hgk s ALA 74 Cb -0.15 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.75 2hgk s ALA 74 CO 0.15 -1.36 0.99 1.33 0.00 0.00 0.00 175.76 176.87 2hgk n VAL 75 N 5.15 0.00 -0.03 0.00 0.24 -1.26 -4.47 118.33 117.96 2hgk n VAL 75 Ca -0.07 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 2hgk n VAL 75 Cb 0.46 1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 2hgk n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgk h ALA 76 N 3.39 0.16 0.00 2.33 0.00 -1.92 0.15 119.26 123.37 2hgk h ALA 76 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2hgk h ALA 76 Cb 0.67 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2hgk h ALA 76 CO 0.00 -0.44 -0.05 -1.35 0.00 0.00 0.00 179.25 177.41 2hgk h PRO 77 N 0.06 0.00 0.02 0.00 0.11 -1.99 0.47 132.00 130.66 2hgk h PRO 77 Ca 0.09 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 2hgk h PRO 77 Cb 0.11 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.23 2hgk h PRO 77 CO -0.15 0.05 -0.58 -0.92 -0.21 0.00 0.00 178.00 176.19 2hgk h TYR 78 N 0.00 0.55 0.00 0.65 3.20 -1.54 -3.22 116.97 116.61 2hgk h TYR 78 Ca -0.00 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2hgk h TYR 78 Cb 0.15 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2hgk h TYR 78 CO 0.00 1.14 0.00 0.66 -1.64 0.00 0.00 178.16 178.32 2hgk n TYR 79 N -4.25 0.93 0.18 -3.82 4.02 -0.06 -0.60 117.16 113.56 2hgk n TYR 79 Ca -0.11 0.30 0.04 0.00 -0.01 0.00 0.00 57.90 58.12 2hgk n TYR 79 Cb 0.67 -0.99 0.43 0.00 -0.02 0.00 0.00 39.34 39.43 2hgk n TYR 79 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2hgk h GLU 80 N 0.00 0.09 0.14 -0.72 4.81 -0.93 0.33 114.58 118.30 2hgk h GLU 80 Ca 0.00 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.87 2hgk h GLU 80 Cb 0.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2hgk h GLU 80 CO 0.00 0.29 -1.78 0.52 -0.73 0.00 0.00 179.01 177.31 2hgk h MET 81 N 0.09 0.29 -0.12 1.92 2.86 -1.29 -3.39 114.93 115.28 2hgk h MET 81 Ca 0.02 -0.50 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 2hgk h MET 81 Cb 0.41 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 2hgk h MET 81 CO 0.03 1.24 -0.03 0.00 1.06 0.00 0.00 176.91 179.21 2hgk h ALA 82 N 0.04 0.16 -1.74 6.32 0.00 -0.74 -3.38 119.26 119.92 2hgk h ALA 82 Ca -0.37 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 53.68 2hgk h ALA 82 Cb 1.98 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 2hgk h ALA 82 CO 0.10 -0.09 0.54 -0.51 0.00 0.00 0.00 179.25 179.29 2hgk s LEU 83 N -9.38 4.25 0.00 0.00 1.43 0.12 -4.98 118.68 110.12 2hgk s LEU 83 Ca -0.14 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2hgk s LEU 83 Cb 0.05 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2hgk s LEU 83 CO 0.72 -1.33 0.00 0.00 0.23 0.00 0.00 176.35 175.96 2hgk n ALA 84 N 7.58 0.00 0.39 4.21 0.00 -1.26 -4.70 120.51 126.72 2hgk n ALA 84 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 2hgk n ALA 84 Cb 0.46 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.43 2hgk n ALA 84 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2hgk h THR 85 N 0.00 0.00 -3.51 0.00 2.02 -1.96 -3.44 112.91 106.03 2hgk h THR 85 Ca 0.00 -0.27 -0.45 0.00 0.77 0.00 0.00 66.41 66.46 2hgk h THR 85 Cb 0.00 1.04 0.15 0.00 -1.74 0.00 0.00 68.15 67.61 2hgk h THR 85 CO 0.00 0.00 0.36 -0.62 0.37 0.00 0.00 175.52 175.63 2hgk s ASP 86 N -4.44 3.20 0.12 4.18 2.15 -1.26 -4.93 116.67 115.69 2hgk s ASP 86 Ca 0.04 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.07 2hgk s ASP 86 Cb 0.09 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 2hgk s ASP 86 CO 0.42 -2.66 0.00 1.57 -0.17 0.00 0.00 175.17 174.33 2hgk n HIS 87 N -3.62 -2.28 -1.96 -5.34 -0.00 -1.26 -4.84 115.22 95.91 2hgk n HIS 87 Ca 0.16 1.32 -0.42 0.00 0.46 0.00 0.00 57.72 59.24 2hgk n HIS 87 Cb 0.60 -2.71 -0.03 0.00 -0.12 0.00 0.00 29.99 27.73 2hgk n HIS 87 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2hgk s PRO 88 N -2.27 4.18 -0.28 1.57 0.04 -1.26 -4.19 135.00 132.80 2hgk s PRO 88 Ca 0.00 2.25 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 2hgk s PRO 88 Cb 0.00 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 30.62 2hgk s PRO 88 CO 0.00 -0.83 0.25 1.04 0.04 0.00 0.00 177.00 177.50 2hgk n GLN 89 N 6.88 -2.16 0.03 4.56 6.02 -1.26 -4.97 117.38 126.48 2hgk n GLN 89 Ca 0.17 1.94 -0.04 0.00 -0.01 0.00 0.00 57.00 59.06 2hgk n GLN 89 Cb 0.42 -4.48 -0.10 0.00 1.02 0.00 0.00 30.24 27.10 2hgk n GLN 89 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2hgk h ARG 90 N 1.84 0.00 -0.27 -1.09 0.11 -1.89 -3.37 114.38 109.71 2hgk h ARG 90 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2hgk h ARG 90 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2hgk h ARG 90 CO 0.12 0.51 -0.22 0.00 0.10 0.00 0.00 179.97 180.48 2hgk h ALA 91 N 1.20 1.12 -0.74 0.08 0.00 -1.95 -2.65 119.26 116.32 2hgk h ALA 91 Ca -0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2hgk h ALA 91 Cb 1.76 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2hgk h ALA 91 CO 0.08 0.55 0.41 -0.07 0.00 0.00 0.00 179.25 180.21 2hgk h LEU 92 N 0.45 0.91 -0.35 0.00 3.38 -1.97 0.24 115.31 117.97 2hgk h LEU 92 Ca 0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2hgk h LEU 92 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2hgk h LEU 92 CO 0.04 0.73 -0.10 0.40 0.09 0.00 0.00 178.44 179.61 2hgk h ILE 93 N 1.03 1.28 -0.82 1.22 2.04 -1.71 -2.71 117.51 117.85 2hgk h ILE 93 Ca 0.26 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 2hgk h ILE 93 Cb 0.02 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2hgk h ILE 93 CO -0.04 0.38 0.50 -0.07 0.00 0.00 0.00 178.15 178.92 2hgk h LEU 94 N 0.47 0.97 -0.53 1.44 3.38 -1.02 -1.34 115.31 118.68 2hgk h LEU 94 Ca 0.09 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hgk h LEU 94 Cb 0.61 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2hgk h LEU 94 CO 0.04 0.74 0.30 0.00 0.09 0.00 0.00 178.44 179.60 2hgk h ALA 95 N 1.43 0.68 -0.67 1.53 0.00 -0.35 0.26 119.26 122.15 2hgk h ALA 95 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2hgk h ALA 95 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2hgk h ALA 95 CO -0.06 -0.01 0.24 0.93 0.00 0.00 0.00 179.25 180.35 2hgk h GLU 96 N 0.59 1.01 -0.57 0.00 4.39 -1.12 -1.26 114.58 117.62 2hgk h GLU 96 Ca 0.22 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2hgk h GLU 96 Cb 0.07 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2hgk h GLU 96 CO -0.12 0.86 0.20 -0.07 -1.16 0.00 0.00 179.01 178.72 2hgk h LEU 97 N 0.95 0.82 -1.03 1.33 3.38 -0.44 -0.68 115.31 119.64 2hgk h LEU 97 Ca 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2hgk h LEU 97 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2hgk h LEU 97 CO -0.01 0.79 0.23 -0.33 0.09 0.00 0.00 178.44 179.21 2hgk h GLU 98 N 0.80 0.93 -0.28 1.13 5.08 -0.37 -0.77 114.58 121.10 2hgk h GLU 98 Ca 0.19 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2hgk h GLU 98 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2hgk h GLU 98 CO -0.01 0.77 0.06 -0.22 -1.00 0.00 0.00 179.01 178.62 2hgk h LYS 99 N 0.91 0.45 -0.56 2.33 3.64 -0.63 -1.03 116.57 121.68 2hgk h LYS 99 Ca 0.21 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2hgk h LYS 99 Cb 0.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2hgk h LYS 99 CO -0.02 0.55 0.17 1.25 -2.27 0.00 0.00 179.45 179.13 2hgk h LEU 100 N 0.28 0.83 -0.91 5.20 5.85 -0.97 -2.69 115.31 122.90 2hgk h LEU 100 Ca 0.09 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2hgk h LEU 100 Cb 0.30 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2hgk h LEU 100 CO 0.00 0.82 0.58 -0.78 -0.34 0.00 0.00 178.44 178.72 2hgk h ASP 101 N 0.79 0.94 0.12 1.25 3.58 -0.94 -1.43 116.42 120.73 2hgk h ASP 101 Ca 0.18 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 2hgk h ASP 101 Cb 0.29 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2hgk h ASP 101 CO -0.00 0.62 -0.17 0.00 -2.88 0.00 0.00 179.24 176.80 2hgk h ALA 102 N 1.40 1.57 -0.43 -0.78 0.00 -0.88 -1.35 119.26 118.80 2hgk h ALA 102 Ca 0.38 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2hgk h ALA 102 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hgk h ALA 102 CO -0.15 0.31 -0.25 -0.07 0.00 0.00 0.00 179.25 179.09 2hgk h LEU 103 N 0.12 0.96 -0.36 0.00 3.38 -0.96 -2.68 115.31 115.76 2hgk h LEU 103 Ca 0.02 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2hgk h LEU 103 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2hgk h LEU 103 CO 0.02 1.17 0.00 -0.26 0.09 0.00 0.00 178.44 179.46 2hgk h PHE 104 N 0.75 0.00 -0.00 1.13 0.04 -1.07 -3.28 116.94 114.51 2hgk h PHE 104 Ca 0.09 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.61 2hgk h PHE 104 Cb 0.83 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.99 2hgk h PHE 104 CO 0.06 0.00 -0.99 0.00 -0.60 0.00 0.00 178.31 176.78 2hgk h ALA 105 N 2.28 0.25 -3.14 2.45 0.00 -0.92 -3.39 119.26 116.79 2hgk h ALA 105 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 54.91 53.89 2hgk h ALA 105 Cb 0.68 0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.12 2hgk h ALA 105 CO 0.00 0.75 -0.67 0.34 0.00 0.00 0.00 179.25 179.67 2hgk s ASP 106 N -7.18 0.89 0.25 0.00 2.15 -1.16 -5.07 116.67 106.54 2hgk s ASP 106 Ca -0.08 0.25 0.10 0.00 0.43 0.00 0.00 52.55 53.25 2hgk s ASP 106 Cb 0.08 0.16 -0.05 0.00 -0.30 0.00 0.00 42.92 42.81 2hgk s ASP 106 CO 0.89 -0.25 -0.17 -0.62 -0.17 0.00 0.00 175.17 174.85 2hgk s ASP 107 N 2.26 3.14 0.00 -0.34 2.15 -1.26 -4.82 116.67 117.80 2hgk s ASP 107 Ca 0.04 -1.03 0.18 0.00 0.43 0.00 0.00 52.55 52.17 2hgk s ASP 107 Cb -0.12 -0.23 0.86 0.00 -0.30 0.00 0.00 42.92 43.13 2hgk s ASP 107 CO -0.05 -0.06 1.57 0.00 -0.17 0.00 0.00 175.17 176.46 2hgk n ALA 108 N -0.52 1.91 1.16 3.66 0.00 -1.26 -2.16 120.51 123.30 2hgk n ALA 108 Ca -0.06 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.44 2hgk n ALA 108 Cb 0.60 -1.30 0.63 0.00 0.00 0.00 0.00 19.45 19.39 2hgk n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hgk n SER 109 N -1.39 0.08 -4.56 0.00 3.41 -1.26 -4.82 113.62 105.08 2hgk n SER 109 Ca 0.07 0.16 -0.31 0.00 -0.26 0.00 0.00 58.87 58.53 2hgk n SER 109 Cb 0.18 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 2hgk n SER 109 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hgk s LEU 110 N -2.83 2.98 0.23 1.04 1.43 -0.92 -5.10 118.68 115.51 2hgk s LEU 110 Ca 0.19 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 2hgk s LEU 110 Cb 0.19 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 2hgk s LEU 110 CO 0.52 0.23 1.22 -1.61 0.23 0.00 0.00 176.35 176.93 2hgk s GLU 111 N -1.78 4.48 -0.05 1.70 2.02 -1.26 -4.89 118.70 118.92 2hgk s GLU 111 Ca 0.18 1.94 -0.25 0.00 0.02 0.00 0.00 54.97 56.87 2hgk s GLU 111 Cb -0.11 -3.20 -0.20 0.00 0.10 0.00 0.00 34.13 30.73 2hgk s GLU 111 CO 0.10 -0.08 1.03 0.45 0.02 0.00 0.00 175.26 176.78 2hgk h HIS 112 N 4.75 -0.08 -3.09 1.61 3.86 -1.98 -3.37 115.15 116.86 2hgk h HIS 112 Ca -0.46 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.12 2hgk h HIS 112 Cb 1.21 0.03 -0.14 0.00 1.06 0.00 0.00 27.41 29.57 2hgk h HIS 112 CO 0.61 0.48 0.44 -1.01 0.86 0.00 0.00 177.93 179.30 2hgk s HIS 113 N -3.57 2.83 0.79 2.45 3.76 -1.26 -5.03 115.29 115.26 2hgk s HIS 113 Ca -0.15 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 2hgk s HIS 113 Cb 0.00 -4.00 0.07 0.00 1.11 0.00 0.00 32.58 29.76 2hgk s HIS 113 CO 0.60 -1.35 1.09 -1.01 -0.85 0.00 0.00 174.74 173.22 2hgk s HIS 114 N 3.66 2.74 0.14 1.40 0.09 -1.26 -5.08 115.29 116.98 2hgk s HIS 114 Ca 0.25 1.29 0.03 0.00 -0.00 0.00 0.00 55.06 56.63 2hgk s HIS 114 Cb -0.15 -3.07 -0.04 0.00 -0.00 0.00 0.00 32.58 29.32 2hgk s HIS 114 CO 0.15 -1.80 -0.08 -1.01 -0.00 0.00 0.00 174.74 172.01 2hgk s HIS 115 N -3.04 1.16 -0.08 1.40 3.76 -1.26 -5.05 115.29 112.18 2hgk s HIS 115 Ca 0.61 -0.84 0.09 0.00 -0.15 0.00 0.00 55.06 54.77 2hgk s HIS 115 Cb -0.16 -0.62 -0.13 0.00 1.11 0.00 0.00 32.58 32.78 2hgk s HIS 115 CO 0.55 -0.02 0.06 0.72 -0.85 0.00 0.00 174.74 175.21 2hgk n HIS 116 N -0.17 0.00 -0.79 1.40 8.25 -1.26 -5.19 115.22 117.47 2hgk n HIS 116 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2hgk n HIS 116 Cb 0.61 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2hgk n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56